Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 3/20 | 0.44 |
| ▸ | HTR2C | P28335 | 5/20 | 0.44 |
| ▸ | HTR1A | P08908 | 3/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | HTR2B | P41595 | 3/20 | 0.43 |
| ▸ | HTR1D | P28221 | 2/20 | 0.43 |
| ▸ | HTR1B | P28222 | 2/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27468765 | 0.81 | ALDH1A1 (0.49) | TSHRALDH1A1LMNAHPGDNFKB1 | |
| SCHEMBL8357807 | 0.79 | CYP2C9 (0.43) | CYP2C9CYP2D6CYP1A2CYP3A4THPO | |
| SCHEMBL11785850 | 0.77 | HTR2A (0.59) | CYP2D6CYP1A2TSHRALDH1A1LMNA | |
| SCHEMBL1413377 | 0.76 | HTT (0.54) | CYP2D6ALDH1A1LMNAHPGDHTR2A | |
| Hydrochloric Acid SCHEMBL11847909 | 0.76 | HTR2A (0.57) | CYP1A2CYP3A4NPSR1ALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL11852231 | 0.75 | JAK2 (0.55) | CYP2D6LMNAHPGDPMP22HTR1A | |
| SCHEMBL2782013 | 0.74 | LMNA (0.51) | CYP2D6NPSR1LMNAHTR1AHTR2A | |
| SCHEMBL8789588 | 0.74 | LMNA (0.64) | CYP2C9CYP2D6CYP1A2CYP3A4TSHR | |
| SCHEMBL26989598 | 0.72 | HTR7 (0.70) | CYP2C9CYP2D6CYP1A2CYP3A4TSHR | |
| SCHEMBL10433671 | 0.71 | NPSR1 (0.49) | CYP2C9CYP2D6CYP1A2CYP3A4THPO |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5792760-A | USEFUL IN TREATMENT OF PSYCHOLOGICAL AND CENTRAL NERVOUS SYSTEM DISORDERS | ELI LILLY AND COMPANY (US) | 1998-08-11 | — | — | US | disclosed |
| CN-1011311-B | Process for preparing 1H-indol-3-yl-containing 1, 3-dimethyl-1H-purine-2, 6-diones | JANSSEN PHARMACEUTICA NV (BE) | 1991-01-23 | — | — | CN | disclosed |